2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C23H18FN5O — CID 67005194

IUPAC2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ncc(-c2ccc(Nc3nccn4cc(-c5ccc(F)cc5C)nc34)cc2)o1
InChIInChI=1S/C23H18FN5O/c1-14-11-17(24)5-8-19(14)20-13-29-10-9-25-22(23(29)28-20)27-18-6-3-16(4-7-18)21-12-26-15(2)30-21/h3-13H,1-2H3,(H,25,27)
InChIKeyDJVYXCFLDXWJHJ-UHFFFAOYSA-N
MW399.43 g/mol
LogP5.55
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 67005194) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID67005194
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ncc(-c2ccc(Nc3nccn4cc(-c5ccc(F)cc5C)nc34)cc2)o1
InChIInChI=1S/C23H18FN5O/c1-14-11-17(24)5-8-19(14)20-13-29-10-9-25-22(23(29)28-20)27-18-6-3-16(4-7-18)21-12-26-15(2)30-21/h3-13H,1-2H3,(H,25,27)
InChIKeyDJVYXCFLDXWJHJ-UHFFFAOYSA-N
XLogP5.55
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 67005194) is 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is Cc1ncc(-c2ccc(Nc3nccn4cc(-c5ccc(F)cc5C)nc34)cc2)o1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DJVYXCFLDXWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-14-11-17(24)5-8-19(14)20-13-29-10-9-25-22(23(29)28-20)27-18-6-3-16(4-7-18)21-12-26-15(2)30-21/h3-13H,1-2H3,(H,25,27).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 399.43 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 67005194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).